Previous Next

*   Fragmentation Library
Use the Fragmentation view on the Database Manager window to create and manage fragmentation mechanism databases. The Fragmentation view contains a full-featured graphical editor for entering fragmentation reactions that you can store in a database, together with complementary information for the reaction. You can query all the fields of the database, for example: authors, ionization method, or molecular mass. All the library structures from the reactions are also fully searchable.
For a complete description of the features in the Fragmentation view, see Fragmentation Library.
The Fragmentation Library contains an expert system that automatically extracts a decomposition mechanism for each fragmentation reaction in the database and determines the compound class range where you can apply the mechanism. This expert system applies database mechanisms to your structure and automatically predicts the fragmentation reactions for a specified compound.
The Mass Frontier application includes approximately 31 000 fragmentation schemes that contain approximately 130 000 individual reactions collected from mass spectrometry literature. The collected mechanisms are stored in the HighChem Fragmentation Library.
Fragmentation Library mechanisms
Reaction page of the Fragmentation view
Info page of the Fragmentation view

  Drawing Fragmentation Reactions
  Editing a Fragmentation Scheme
  Working with Records
  Extracting Mechanisms
  Using Library Reactions in Fragmentation Prediction
  Searching for Fragmentation Criteria
  Comparing Fragments


Previous Next
Related Topics:
  Server Manager
  Structure Editor
  Database Manager
  Chromatogram Processor
  Components Editor
  Spectra Classifier
  Spectra Projector
  Neural Networks
  Fragments Comparator
  Isotope Pattern
  Periodic Table
  Formula Generator
  Fragments & Mechanisms
  Report Creator
Copyright 1998 - 2013 HighChem Ltd., Slovakia